Molecule

ID:51353

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₃S
Molecular Mass
264.30028
Exact Mass
264.05686325
Charge
0
InChI
InChI=1S/C12H12N2O3S/c1-17-10-3-5-11(6-4-10)18(15,16)12-7-2-9(13)8-14-12/h2-8H,13H2,1H3
InChIKey
PXKQURRXWNAKBS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)S(=O)(=O)c1ccc(cn1)N
Isomeric Smiles
S(=O)(=O)(c1ncc(N)cc1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.3182683
LogD (pH = 7.4)
1.3182683
Log P
1.3182683
Molar Refractivity
68.9104
Polarizability
27.167011
Polar Surface Area
82.28
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation